4-Bromobenzhydrol - CAS 29334-16-5
Catalog: |
BB020171 |
Product Name: |
4-Bromobenzhydrol |
CAS: |
29334-16-5 |
Synonyms: |
(4-bromophenyl)-phenylmethanol; (4-bromophenyl)-phenylmethanol |
IUPAC Name: | (4-bromophenyl)-phenylmethanol |
Description: | 4-Bromobenzhydrol (CAS# 29334-16-5) is used in the synthesis of diarylmethylpiperazines as potent and selective nonpeptidic δ-opioid receptor agonists. Is used in the ysnthesis of bronsted acid-catalyzed benzylation of 1,3-dicarbonyl derivatives. |
Molecular Weight: | 263.13 |
Molecular Formula: | C13H11BrO |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)O |
InChI: | InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H |
InChI Key: | WTIWDBNPPSHSCB-UHFFFAOYSA-N |
Boiling Point: | 381.5 °C at 760 mmHg |
Density: | 1.435 g/cm3 |
MDL: | MFCD00016851 |
LogP: | 3.53080 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3356331-A1 | Pyrazolidine derivatives and related compounds | 20150930 |
US-2018265467-A1 | Pyrazolidine derivatives and related compounds | 20150930 |
WO-2017055396-A1 | Pyrazolidine derivatives and related compounds | 20150930 |
EP-3145505-A1 | N-acylethanolamine hydrolyzing acid amidase (naaa) inhibitors and their use thereof | 20140519 |
US-10640494-B2 | N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof | 20140519 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.99933 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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